methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate

C10H16O5 — CID 24977292

IUPACmethyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate
SMILESCOC(=O)C1C(=O)CCC1C(OC)OC
InChIInChI=1S/C10H16O5/c1-13-9(12)8-6(4-5-7(8)11)10(14-2)15-3/h6,8,10H,4-5H2,1-3H3
InChIKeyLMYYOYWDBBWEBZ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.37
Rot. Bonds4

About methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate

methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate (PubChem CID 24977292) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate
PubChem CID24977292
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate
SMILESCOC(=O)C1C(=O)CCC1C(OC)OC
InChIInChI=1S/C10H16O5/c1-13-9(12)8-6(4-5-7(8)11)10(14-2)15-3/h6,8,10H,4-5H2,1-3H3
InChIKeyLMYYOYWDBBWEBZ-UHFFFAOYSA-N
XLogP0.37
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate?
The IUPAC name of methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate (CID 24977292) is methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate is COC(=O)C1C(=O)CCC1C(OC)OC.
What is the InChIKey of methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate?
The InChIKey is LMYYOYWDBBWEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-13-9(12)8-6(4-5-7(8)11)10(14-2)15-3/h6,8,10H,4-5H2,1-3H3.
What are the key properties of methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate?
methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate has a molecular weight of 216.23 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethoxymethyl)-5-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 24977292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).